ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate

C15H20N2O3 — CID 3146125

IUPACethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)17-10-8-16(9-11-17)14(18)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyISJOIACNCFZKQI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds2

About ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate

ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate (PubChem CID 3146125) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
PubChem CID3146125
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)17-10-8-16(9-11-17)14(18)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyISJOIACNCFZKQI-UHFFFAOYSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
ethyl 4-[4-(4-methylbenzoyl)piperazin-1-yl]benzoate
CID 113079814
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate
CID 110697483

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate (CID 3146125) is ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate?
The InChIKey is ISJOIACNCFZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-15(19)17-10-8-16(9-11-17)14(18)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate?
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 3146125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).